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Polymerized isomers of CuCl2(C8H12N2S2). The X-ray crystal structures of dichloro(5,5′-6,6′-tetrahydro-2,2′-bi-4H-1,3-thiazine-N 3, N 3′)copper(II) and di-μ-chloro-bis[chloro(5,5′-6,6′-tetrahydro-2, 2′-bi-4H-1,3-thiazine-N 3,N 3′)copper(II)]

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Summary

The monomer in the title was obtained as a first crop and the dimer as a second crop from a 95% ethanolic solution of CuCl2 and 5,5′-6,6′-tetrahydro-2,2′-bi-4H-1,3-thiazine (2,2′-bi-2-thiazine) in the mole ratio 1∶1.1. The monomeric crystals are blue, dichloro(5,5′-6,6′-tetrahydro-2,2′-bi-4H-1, 3-thiazine- N 3,N 3′)copper(II).

The crystal consists of monomeric molecules with no short contacts to neighbouring molecules. The Cu atoms occupy special positions on 2-fold axes. The bidentate 2,2′-bi-2-thiazine bonds via N as it assumes a cis configuration with a twist of 10.3° about the inter-ring C—C bond. The Cu—N distance is 2.013(5) Å, and Cu—Cl is 2.231(2) Å. Coordination around Cu is slightly distorted square planar with a dihedral angle of 5.8(2)° between the Cu, N, Cl plane and Cu, N′, Cl′ plane. The dimeric crystals are green, di-μ-chloro-bis[chloro(5,5′-6,6′-tetrahydro-2,2′-bi-4H-1, 3-thiazine-N 3,N 3′)copper(II)].

The structure consists of discrete centrosymmetric dimers [CuCl2(C8H12N2S2)]2. Coordination around Cu is distorted square pyramidal (τ = 0.32) with two N atoms from the bidentate 2,2′-bi-2-thiazine occupying adjacent basal sites, and two Cl atoms occupying the other two basal sites. The average Cu—N distance is 2.028(4) Å, Cu—Cl(1) is 2.284(2) Å, Cu—Cl(2) is 2.239(1) Å. Dihedral angle between the CuN2 and CuCl2 planes is 23.7°. Cl(1)′ of the adjacent inversion-related monomer, CuCl2-(C8H12N2S2), occupies the apical position. Cu—Cl(1)′, r = 2.618(2) Å. Dimensions in the chloride-bridged planar dimeric moiety, Cu2Cl2, are Cu ⋯ Cu′ 3.449(1) Å; Cl(1) ⋯ Cl(1)′ 3.498(2) Å; Cu—Cl(1)—Cu′, φ = 89.2(1)°, φ/r = 34.07°/Å. The two saturated rings in C8H12N2S2 show a twist of 11.4° about the inter-ring C—C bond.

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Authors and Affiliations

  1. Department of Chemistry, The University of Jordan, Amman, Jordan

    Salim F. Haddad

  2. Institut für Anorganische and Analytische Chemie, Technische Universitat Berlin, Berlin, Germany

    Joachim Pickardt

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  1. Salim F. Haddad
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Haddad, S.F., Pickardt, J. Polymerized isomers of CuCl2(C8H12N2S2). The X-ray crystal structures of dichloro(5,5′-6,6′-tetrahydro-2,2′-bi-4H-1,3-thiazine-N 3, N 3′)copper(II) and di-μ-chloro-bis[chloro(5,5′-6,6′-tetrahydro-2, 2′-bi-4H-1,3-thiazine-N 3,N 3′)copper(II)]. Transition Met Chem 18, 377–384 (1993). https://doi.org/10.1007/BF00208176

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